RefChem:1094875
TL;DR: RefChem:1094875 (CAS 83010-56-4) is a chemical compound with molecular formula C34H42N2O6 and molecular weight 574.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;bis(3-[1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol)
Also Known As: 3-(1-Cyclopropylmethyl-1,2,5,6-tetrahydropyridin-3-yl)phenol fumarate, 3-[1-(Cyclopropylmethyl)-1,2,5,6-tetrahydro-3-pyridinyl]phen, Phenol, 3-(1-(cyclopropylmethyl)-1,2,5,6-tetrahydro-3-pyridinyl)-, (E)-2- butenedioate (2:1) (salt), (E)-but-2-enedioic acid; 3-[1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol, 3-[1-(Cyclopropylmethyl)-1,2,5,6-tetrahydro-3-pyridinyl]phenol (2 E)-2-butenedioate (2:1)
| Molecular Formula | C34H42N2O6 |
|---|---|
| Molecular Weight | 574.30 g/mol |
| LogP | 5.4944 |
| Topological Polar Surface Area | 121.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 574.30426 |
| Heavy Atoms | 42 |
| Complexity | 1209.1154 |
Chemical Identifiers
| CAS Number | 83010-56-4 |
|---|---|
| SMILES | C1CN(CC(=C1)C2=CC(=CC=C2)O)CC3CC3.C1CN(CC(=C1)C2=CC(=CC=C2)O)CC3CC3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1094875 (CAS 83010-56-4), with molecular formula C34H42N2O6 and molecular weight 574.30 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(3-[1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol).
Chemical Property Profile of RefChem:1094875
Property Insights of RefChem:1094875
The XLogP value of 5.4944 indicates that RefChem:1094875 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1094875. Following Lipinski's Rule of Five, RefChem:1094875 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1094875?
The CAS number of RefChem:1094875 is 83010-56-4.
What is the molecular formula of RefChem:1094875?
The molecular formula of RefChem:1094875 is C34H42N2O6.
What is the molecular weight of RefChem:1094875?
The molecular weight of RefChem:1094875 is 574.30 g/mol.
Where can I buy RefChem:1094875?
You can request a quote for RefChem:1094875 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1094875?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1094875 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.